3-[(4-chloranyl-3-nitro-phenyl)methylamino]-4-methyl-pentanoic acid

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methylamino]-4-methyl-pentanoic acid Openeye Name: 3-[(4-chloro-3-nitro-phenyl)methylamino]-4-methyl-pentanoic acid CAS Name: 3-[(4-chloro-3-nitrophenyl)methylamino]-4-methylpentanoic acid IUPAC Name: 3-[(4-chloro-3-nitrophenyl)methylamino]-4-methylpentanoic acid Traditional Name: 3-[(4-chloro-3-nitro-benzyl)amino]-4-methyl-valeric acid Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)NCC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(CC(=O)O)NCC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN2O4/c1-8(2)11(6-13(17)18)15-7-9-3-4-10(14)12(5-9)16(19)20/h3-5,8,11,15H,6-7H2,1-2H3,(H,17,18)